3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one

C16H8Cl2F3NO2 — CID 2768670

IUPAC3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one
SMILESO=C1OCC(c2ccc(Cl)cc2)=C1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H8Cl2F3NO2/c17-10-3-1-8(2-4-10)11-7-24-15(23)13(11)14-12(18)5-9(6-22-14)16(19,20)21/h1-6H,7H2
InChIKeyMEVODFKMBPUVCS-UHFFFAOYSA-N
MW374.15 g/mol
LogP4.87
Rot. Bonds2

About 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one

3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one (PubChem CID 2768670) has the molecular formula C16H8Cl2F3NO2 and a molecular weight of 374.15 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one
PubChem CID2768670
Molecular FormulaC16H8Cl2F3NO2
Molecular Weight374.15 g/mol
Exact Mass372.99
IUPAC Name3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one
SMILESO=C1OCC(c2ccc(Cl)cc2)=C1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H8Cl2F3NO2/c17-10-3-1-8(2-4-10)11-7-24-15(23)13(11)14-12(18)5-9(6-22-14)16(19,20)21/h1-6H,7H2
InChIKeyMEVODFKMBPUVCS-UHFFFAOYSA-N
XLogP4.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.15
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one?
The IUPAC name of 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one (CID 2768670) is 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one is O=C1OCC(c2ccc(Cl)cc2)=C1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one?
The InChIKey is MEVODFKMBPUVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F3NO2/c17-10-3-1-8(2-4-10)11-7-24-15(23)13(11)14-12(18)5-9(6-22-14)16(19,20)21/h1-6H,7H2.
What are the key properties of 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one?
3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one has a molecular weight of 374.15 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2H-furan-5-one is sourced from PubChem (CID 2768670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).